SCHEMBL2051433

SCHEMBL2051433

C=CCC1(CC=CCCCCC)COC(C)(C)OC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2051431 1.00 TSHR (0.36) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2048479 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2048745 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2050641 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2048747 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2046198 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2048641 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2046197 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2048483 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4
SCHEMBL2050643 0.98 TSHR (0.39) TSHRFAAHTRPV1MEN1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
WO-2009038031-A1 BLOCK COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
US-20080221288-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
US-20080214755-A1 OLEFIN-DIENE COPOLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-04 US disclosed